Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-
TL;DR: Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro- (CAS 51685-33-7) is a chemical compound with molecular formula C14H15N3O4 and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylpiperazin-1-yl)-3-nitrochromen-2-one
Also Known As: 4-(4-Methyl-1-piperazinyl)-3-nitrocoumarin, 4-(4-Methylpiperazin-1-yl)-3-nitro-2H-chromen-2-one, COUMARIN, 4-(4-METHYL-1-PIPERAZINYL)-3-NITRO-, 3-nitro-4-(N-methylpiperazino)-coumarin, BAS 01052289
| Molecular Formula | C14H15N3O4 |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.10626 |
| Heavy Atoms | 21 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 51685-33-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | YENAYOJVUHVETP-UHFFFAOYSA-N |
Product Overview
Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro- (CAS 51685-33-7), with molecular formula C14H15N3O4 and molecular weight 289.11 g/mol. IUPAC: 4-(4-methylpiperazin-1-yl)-3-nitrochromen-2-one.
Chemical Property Profile of Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-
Property Insights of Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-. Following Lipinski's Rule of Five, Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-?
The CAS number of Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro- is 51685-33-7.
What is the molecular formula of Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-?
The molecular formula of Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro- is C14H15N3O4.
What is the molecular weight of Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-?
The molecular weight of Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro- is 289.11 g/mol.
Where can I buy Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-?
You can request a quote for Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.